1H-inden-1-ide;2-(1H-inden-1-id-2-yl)tetrazole;zirconium(4+);dichloride

C19H14Cl2N4Zr — CID 87863650

IUPAC1H-inden-1-ide;2-(1H-inden-1-id-2-yl)tetrazole;zirconium(4+);dichloride
SMILES[Cl-].[Cl-].[Zr+4].c1ccc2[cH-]c(-n3ncnn3)cc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C10H7N4.C9H7.2ClH.Zr/c1-2-4-9-6-10(5-8(9)3-1)14-12-7-11-13-14;1-2-5-9-7-3-6-8(9)4-1;;;/h1-7H;1-7H;2*1H;/q2*-1;;;+4/p-2
InChIKeyTWHWSWMTOGXIEH-UHFFFAOYSA-L
MW460.48 g/mol
LogP-1.90
Rot. Bonds1

About 1H-inden-1-ide;2-(1H-inden-1-id-2-yl)tetrazole;zirconium(4+);dichloride

1H-inden-1-ide;2-(1H-inden-1-id-2-yl)tetrazole;zirconium(4+);dichloride (PubChem CID 87863650) has the molecular formula C19H14Cl2N4Zr and a molecular weight of 460.48 g/mol. Its IUPAC name is 1H-inden-1-ide;2-(1H-inden-1-id-2-yl)tetrazole;zirconium(4+);dichloride.

Molecular Properties

Compound Name1H-inden-1-ide;2-(1H-inden-1-id-2-yl)tetrazole;zirconium(4+);dichloride
PubChem CID87863650
Molecular FormulaC19H14Cl2N4Zr
Molecular Weight460.48 g/mol
Exact Mass457.96
IUPAC Name1H-inden-1-ide;2-(1H-inden-1-id-2-yl)tetrazole;zirconium(4+);dichloride
SMILES[Cl-].[Cl-].[Zr+4].c1ccc2[cH-]c(-n3ncnn3)cc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C10H7N4.C9H7.2ClH.Zr/c1-2-4-9-6-10(5-8(9)3-1)14-12-7-11-13-14;1-2-5-9-7-3-6-8(9)4-1;;;/h1-7H;1-7H;2*1H;/q2*-1;;;+4/p-2
InChIKeyTWHWSWMTOGXIEH-UHFFFAOYSA-L
XLogP-1.90
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.48
LogP ≤ 5-1.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

bis(2-(1H-inden-1-id-2-yl)tetrazole);zirconium(4+);dichloride
CID 87863064
1H-inden-1-ide;zirconium(4+);trichloride
CID 71421360
2-ethyl-1H-inden-1-ide;1H-inden-1-ide;zirconium(4+);dichloride
CID 18369854
carbanide;1H-inden-1-ide;titanium(3+);trichloride
CID 157275442
azanide;1H-inden-1-ide;titanium(4+);dichloride
CID 175964725
CID 22311255
CID 22311255
dimethylphosphane;1H-inden-1-ide;zirconium(4+);trichloride
CID 157067966
bis(1-(1H-inden-1-id-2-yl)tetrazole);titanium(4+);dichloride
CID 87862766
diethylsilylidenezirconium(2+);1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride
CID 160943291
tetrakis(1H-inden-1-ide);bis(methylidenetitanium(2+));dichloride
CID 22327850
1H-inden-1-ide;titanium(3+);difluoride
CID 87792956
1H-inden-1-ide;titanium;dihydrochloride
CID 87738152

Frequently Asked Questions

What is the IUPAC name of 1H-inden-1-ide;2-(1H-inden-1-id-2-yl)tetrazole;zirconium(4+);dichloride?
The IUPAC name of 1H-inden-1-ide;2-(1H-inden-1-id-2-yl)tetrazole;zirconium(4+);dichloride (CID 87863650) is 1H-inden-1-ide;2-(1H-inden-1-id-2-yl)tetrazole;zirconium(4+);dichloride.
What is the SMILES notation for 1H-inden-1-ide;2-(1H-inden-1-id-2-yl)tetrazole;zirconium(4+);dichloride?
The canonical SMILES for 1H-inden-1-ide;2-(1H-inden-1-id-2-yl)tetrazole;zirconium(4+);dichloride is [Cl-].[Cl-].[Zr+4].c1ccc2[cH-]c(-n3ncnn3)cc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of 1H-inden-1-ide;2-(1H-inden-1-id-2-yl)tetrazole;zirconium(4+);dichloride?
The InChIKey is TWHWSWMTOGXIEH-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H7N4.C9H7.2ClH.Zr/c1-2-4-9-6-10(5-8(9)3-1)14-12-7-11-13-14;1-2-5-9-7-3-6-8(9)4-1;;;/h1-7H;1-7H;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of 1H-inden-1-ide;2-(1H-inden-1-id-2-yl)tetrazole;zirconium(4+);dichloride?
1H-inden-1-ide;2-(1H-inden-1-id-2-yl)tetrazole;zirconium(4+);dichloride has a molecular weight of 460.48 g/mol, XLogP of -1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-inden-1-ide;2-(1H-inden-1-id-2-yl)tetrazole;zirconium(4+);dichloride is sourced from PubChem (CID 87863650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).